Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 512.6 BDBM50301327

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50301327 (6-(4-(1-(4-cyanobenzyl)piperidin-4-yl)piperazin-1-...) Show SMILES Fc1ccc(CNC(=O)c2ccc(nc2)N2CCN(CC2)C2CCN(Cc3ccc(cc3)C#N)CC2)cc1 Show InChI InChI=1S/C30H33FN6O/c31-27-8-5-24(6-9-27)20-34-30(38)26-7-10-29(33-21-26)37-17-15-36(16-18-37)28-11-13-35(14-12-28)22-25-3-1-23(19-32)2-4-25/h1-10,21,28H,11-18,20,22H2,(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting				Bioorg Med Chem Lett 19: 5205-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.020 BindingDB Entry DOI: 10.7270/Q21V5F18
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